Brief Information of the Compound and Protein
Compound Name
N-(4-tert-butylphenyl)-2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]benzamide
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PubChem ID
CID: 132576656
Canonical SMILES
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC
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Compound Formula C33H39N5O4
Compound Structure
Protein Name
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCB subfamily
Uniprot ID
P08183
Gene Name
ABCB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000137 K562/A02 Homo sapiens (Human)  14
1
EC50 = 252.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 1260 nM
   TI
   LI
   LO
   TS
3
IC50 = 1270 nM
   TI
   LI
   LO
   TS
4
IC50 = 3330 nM
   TI
   LI
   LO
   TS
5
IC50 = 4330 nM
   TI
   LI
   LO
   TS
6
IC50 = 6020 nM
   TI
   LI
   LO
   TS
7
IC50 = 6320 nM
   TI
   LI
   LO
   TS
8
IC50 = 10320 nM
   TI
   LI
   LO
   TS
9
IC50 = 12520 nM
   TI
   LI
   LO
   TS
10
IC50 = 17210 nM
   TI
   LI
   LO
   TS
11
IC50 = 18390 nM
   TI
   LI
   LO
   TS
12
IC50 = 34900 nM
   TI
   LI
   LO
   TS
13
IC50 = 37180 nM
   TI
   LI
   LO
   TS
14
IC50 = 37210 nM
   TI
   LI
   LO
   TS